CID 24843888

Propiophenone, 3-(dimethylamino)-, 4-(p-methoxyphenyl)semicarbazone, hydrochloride

Structural Information

Molecular Formula
C19H24N4O2
SMILES
CN(C)CC/C(=N/NC(=O)NC1=CC=C(C=C1)OC)/C2=CC=CC=C2
InChI
InChI=1S/C19H24N4O2/c1-23(2)14-13-18(15-7-5-4-6-8-15)21-22-19(24)20-16-9-11-17(25-3)12-10-16/h4-12H,13-14H2,1-3H3,(H2,20,22,24)/b21-18-
InChIKey
UMABJDOZKGOZHH-UZYVYHOESA-N
Compound name
1-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-3-(4-methoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1899 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.197176 183.0
[M+Na]+ 363.179118 185.4
[M-H]- 339.182624 191.5
[M+NH4]+ 358.223723 195.9
[M+K]+ 379.153058 183.9
[M+H-H2O]+ 323.187160 172.7
[M+HCOO]- 385.188101 210.5
[M+CH3COO]- 399.203751 226.4
[M+Na-2H]- 361.164566 186.6
[M]+ 340.18935142 184.4
[M]- 340.19044858 184.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.